⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL194072 | 0.78 | — | — | |
| SCHEMBL5306546 | 0.78 | LMNA (0.31) | — | |
| SCHEMBL11615697 | 0.78 | — | — | |
| SCHEMBL164272 | 0.78 | — | — | |
| SCHEMBL1153 | 0.78 | — | — | |
| SCHEMBL16775 | 0.78 | — | — | |
| Acrolein SCHEMBL3133786 | 0.75 | TRPA1 (0.47) | — | |
| SCHEMBL4617945 | 0.75 | — | — | |
| Formaldehyde SCHEMBL713072 | 0.74 | — | — | |
| Methane SCHEMBL23281587 | 0.73 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5130435-A | Elimination of alcohol from an acetal or ketal in the presence of phosphates | BASF AKTIENGESELLSCHAFT (DE) | 1992-07-14 | — | — | US | disclosed |
| EP-0299286-A1 | Process for the preparation of vinyl ethers | BASF Aktiengesellschaft (DE) | 1989-01-18 | — | — | EP | disclosed |